%chk=000044268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044268

0 1
 Br  -4.551000      -2.001600     -2.6000000E-03
 C   0.6994000      0.1458000     -9.9999997E-05
 C   0.1219000      -1.147600     -1.9999999E-04
 C  -0.1991000       1.243500      9.9999997E-05
 C   -1.274700      -1.309200     -9.9999997E-05
 C   -1.598400       1.087100      9.9999997E-05
 C   -2.143200     -0.2095000      9.9999997E-05
 C    2.134600      0.2744000     -9.9999997E-05
 C    2.935300     -0.8976000     -1.9999999E-04
 C   0.9433000      -2.278200     -3.0000001E-04
 C    2.328700      -2.155500     -1.9999999E-04
 C   0.2485000       2.677200     -6.9999998E-04
 C   -1.764000      -2.730700      2.7000001E-03
 C   -2.464700       2.194300      3.0000001E-04
 C   -3.539200     -0.3727000      9.9999997E-05
 C    2.823600       1.513500     -9.9999997E-05
 C    4.337800     -0.8070000     -9.9999997E-05
 C   -3.848700       2.018700      6.0000003E-04
 C   -4.385800      0.7357000      3.0000001E-04
 C    4.219200       1.589900      9.9999997E-05
 C    4.976500      0.4291000      9.9999997E-05
 H   0.6394000      -3.312900     -3.5999999E-03
 H    2.932900      -3.061200     -1.0000000E-03
 H   0.7964000       2.881800      0.9260000    
 H   0.7991000       2.879300     -0.9264000    
 H  -0.4645000       3.493000     -4.0000002E-03
 H   -1.073500      -3.565800      1.4200000E-02
 H   -2.312700      -2.928900     -0.9233000    
 H   -2.322100      -2.920100      0.9249000    
 H   -2.189600       3.237800      1.3000000E-03
 H    2.413300       2.501000      1.2000001E-03
 H    4.950400      -1.706900       0.000000    
 H   -4.507800       2.882300      1.0000000E-03
 H   -5.468800      0.6350000      1.9999999E-04
 H    4.712300       2.558200      3.9999999E-04
 H    6.060900      0.4830000      1.9999999E-04


%chk=000044268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044268

0 1
Br -4.720825 -1.979258 -0.241320
C 0.684289 0.175463 -0.072121
C 0.109687 -1.166129 -0.069520
C -0.199187 1.284620 -0.155889
C -1.292188 -1.395340 0.079436
C -1.621695 1.076629 -0.041777
C -2.194749 -0.275324 0.052231
C 2.158450 0.296586 0.025923
C 2.983984 -0.852495 -0.251681
C 0.998921 -2.292568 -0.316518
C 2.355602 -2.134934 -0.482116
C 0.281082 2.690303 -0.505788
C -1.752663 -2.817816 0.374756
C -2.486941 2.224071 0.035282
C -3.647606 -0.329257 0.059763
C 2.829503 1.475509 0.477805
C 4.405485 -0.748181 -0.218736
C -3.863876 2.099446 0.165758
C -4.455578 0.803496 0.139609
C 4.232174 1.555793 0.536778
C 5.033559 0.449601 0.151198
H 0.564955 -3.286759 -0.445444
H 2.989260 -2.993037 -0.734971
H 0.352859 3.366640 0.369038
H 1.268318 2.661006 -0.989622
H -0.413854 3.158312 -1.224094
H -0.940074 -3.397122 0.840263
H -2.094150 -3.364235 -0.523703
H -2.588626 -2.820636 1.088736
H -2.048578 3.223833 0.022791
H 2.251180 2.324558 0.844299
H 5.003268 -1.635823 -0.457989
H -4.504021 2.982895 0.253871
H -5.543819 0.699408 0.147010
H 4.705414 2.475476 0.897970
H 6.126143 0.520470 0.179671


